1369773-39-6

Name AHU-377 (heMicalciuM salt)
CAS 1369773-39-6
EINECS(EC#) 935-847-3
Molecular Formula C48H56CaN2O10
MDL Number MFCD28137893
Molecular Weight 861.044
MOL File 1369773-39-6.mol

Chemical Properties

Melting point  >140°C (dec.)
density  1.24g/cm3 at 20℃
vapor pressure  0.001Pa at 20℃
storage temp.  -20°C
solubility  DMSO (Slightly, Heated), Methanol (Slightly)
form  powder
color  white to beige
Optical Rotation -16.3°(C=0.01g/mL,MEOH, 20°C, 589nm)
InChIKey DDLCKLBRBPYKQS-AGIGYYLVNA-L
SMILES [Ca+2].N([C@@H](C[C@@H](C)C(=O)OCC)Cc3ccc(cc3)c4ccccc4)C(=O)CCC(=O)[O-].N([C@@H](C[C@@H](C)C(=O)OCC)Cc1ccc(cc1)c2ccccc2)C(=O)CCC(=O)[O-]
LogP -0.66-2.9 at 20℃ and pH2-7

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)Environment (GHS09)
GHS06,GHS09
Signal word  Danger
Hazard statements  H301-H400
Precautionary statements  P273-P301+P310+P330
RIDADR  UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all
WGK Germany  WGK 3
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral
Aquatic Acute 1

Hazard Information

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